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- W2022045967 abstract "We present an algorithm for carrying out Langevin dynamics simulations on complex rigid bodies by incorporating the hydrodynamic resistance tensors for arbitrary shapes into an advanced rotational integration scheme. The integrator gives quantitative agreement with both analytic and approximate hydrodynamic theories for a number of model rigid bodies and works well at reproducing the solute dynamical properties (diffusion constants and orientational relaxation times) obtained from explicitly solvated simulations." @default.
- W2022045967 created "2016-06-24" @default.
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- W2022045967 date "2008-06-20" @default.
- W2022045967 modified "2023-10-16" @default.
- W2022045967 title "Langevin dynamics for rigid bodies of arbitrary shape" @default.
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- W2022045967 doi "https://doi.org/10.1063/1.2936991" @default.
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